4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine

C15H16Br2N2O — CID 107283694

IUPAC4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine
SMILESCc1ccc(Br)cc1Oc1cc(Br)nc(C(C)(C)C)n1
InChIInChI=1S/C15H16Br2N2O/c1-9-5-6-10(16)7-11(9)20-13-8-12(17)18-14(19-13)15(2,3)4/h5-8H,1-4H3
InChIKeyOXRQSPCEZPINOG-UHFFFAOYSA-N
MW400.11 g/mol
LogP5.40
Rot. Bonds2

About 4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine

4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine (PubChem CID 107283694) has the molecular formula C15H16Br2N2O and a molecular weight of 400.11 g/mol. Its IUPAC name is 4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine.

Molecular Properties

Compound Name4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine
PubChem CID107283694
Molecular FormulaC15H16Br2N2O
Molecular Weight400.11 g/mol
Exact Mass397.96
IUPAC Name4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine
SMILESCc1ccc(Br)cc1Oc1cc(Br)nc(C(C)(C)C)n1
InChIInChI=1S/C15H16Br2N2O/c1-9-5-6-10(16)7-11(9)20-13-8-12(17)18-14(19-13)15(2,3)4/h5-8H,1-4H3
InChIKeyOXRQSPCEZPINOG-UHFFFAOYSA-N
XLogP5.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.11
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 107287649
2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine
CID 107285394
6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine
CID 80962529
2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine
CID 102981534
2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid
CID 107283603
4-bromo-2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine
CID 106597003
4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine
CID 80948172
[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 107287706
[6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 107287677
4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 107287670
2-(5-bromo-2-methylphenoxy)pyrazine
CID 107284336
6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 107287439

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine?
The IUPAC name of 4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine (CID 107283694) is 4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine.
What is the SMILES notation for 4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine?
The canonical SMILES for 4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine is Cc1ccc(Br)cc1Oc1cc(Br)nc(C(C)(C)C)n1.
What is the InChIKey of 4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine?
The InChIKey is OXRQSPCEZPINOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2O/c1-9-5-6-10(16)7-11(9)20-13-8-12(17)18-14(19-13)15(2,3)4/h5-8H,1-4H3.
What are the key properties of 4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine?
4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine has a molecular weight of 400.11 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine is sourced from PubChem (CID 107283694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).